Thermodynamic Studies of Molecular Interactions in Mixtures Containing Tetrahydropyran, 1,4-Dioxane, and Cyclic Ketones

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• 作者：Vinod Kumar SharmaSunita Malik ; Subhash Solanki
• 刊名：Journal of Chemical & Engineering Data
• 出版年：2017
• 出版时间：February 9, 2017
• 年：2017
• 卷：62
• 期：2
• 页码：623-632
• 全文大小：557K
• ISSN：1520-5134

文摘

The densities ρ, speeds of sound u, and molar heat capacities C<sub>Psub> of tetrahydropyran or 1,4-dioxane (1) + cyclohexanone or cycloheptanone (2) mixtures at 293.15, 298.15, 303.15, and 308.15 K, and excess molar enthalpies, H<sup>Esup> at 308.15 K and atmospheric pressure 0.1 MPa have been measured over the entire composition range. The excess molar volumes V<sup>Esup>, excess isentropic compressibilities κ<sub class="stack">Ssub><sup class="stack">Esup>, and excess heat capacities, C<sub class="stack">Psub><sup class="stack">Esup> of the studied mixtures have been determined using the measured experimental data. The observed V<sup>Esup>, κ<sub class="stack">Ssub><sup class="stack">Esup>, H<sup>Esup>, and C<sub class="stack">Psub><sup class="stack">Esup> data have been tested in terms of graph theory. The analyses of V<sup>Esup> data by graph theory suggest that while tetrahydropyran or 1,4-dioxane exists as a mixture of monomer and dimer; cyclohexanone or cycloheptanone exists as a mixture of open and cyclic dimer. Further, (1 + 2) mixtures are characterized by interactions between oxygen atom/s and hydrogen atom of tetrahydropyran or 1,4-dioxane with hydrogen atom/s and oxygen atom of cyclohexanone or cycloheptanone. The quantum mechanical calculations and analysis of IR spectral data of (1 + 2) mixtures also support this viewpoint. It has been observed that graph theory correctly predicts the V<sup>Esup>, κ<sub class="stack">Ssub><sup class="stack">Esup>, H<sup>Esup>, and C<sub class="stack">psub><sup class="stack">Esup> data of the present mixtures.